SCHEMBL21536069

SCHEMBL21536069

O=C1CCN(c2ccc(NS(=O)(=O)c3cccc(OCC(F)F)c3)cc2)C(=O)N1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.42
DUT P33316 3/20 0.41
DDB1 Q16531 5/20 0.41
CRBN Q96SW2 5/20 0.41
HTR6 P50406 2/20 0.41
PKM P14618 4/20 0.40
ALDH1A1 P00352 2/20 0.40
F2 P00734 1/20 0.39
BRD4 O60885 1/20 0.39
PKLR P30613 1/20 0.38
USP2 O75604 1/20 0.38
LMNA P02545 1/20 0.38
ALOX15 P16050 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
PGR P06401 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20204875 0.93 HTR6 (0.42) DDB1CRBNHTR6PKMALDH1A1
SCHEMBL21536738 0.90 DUT (0.42) ROCK2DUTDDB1CRBNPKM
SCHEMBL21536688 0.87 DDB1 (0.44) ROCK2DUTDDB1CRBNALDH1A1
SCHEMBL20204818 0.85 DUT (0.44) ROCK2DUTDDB1CRBNHTR6
SCHEMBL21536067 0.83 DDB1 (0.46) DUTDDB1CRBNPKMALDH1A1
SCHEMBL26029515 0.80 DUT (0.41) ROCK2DUTPKMALDH1A1F2
SCHEMBL21536686 0.80 DDB1 (0.43) DUTDDB1CRBNHTR6PKM
SCHEMBL21536616 0.77 DUT (0.45) ROCK2DUTALDH1A1USP2LMNA
SCHEMBL21536612 0.77 DUT (0.56) DUTF2PGR
SCHEMBL21536613 0.75 DUT (0.45) ROCK2DUTDDB1CRBNF2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11168059-B2 Amino sulfonyl compounds CV6 THERAPEUTICS (NI) LIMITED (GB) 2021-11-09 US disclosed
US-20190330158-A1 AMINO SULFONYL COMPOUNDS CV6 THERAPEUTICS (NI) LIMITED (GB) 2019-10-31 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11168059-B2 Amino sulfonyl compounds DPYD, DNPEP, DUT ROCK2 4782/4885DUT 3/4885DDB1 33/4885
US-20190330158-A1 AMINO SULFONYL COMPOUNDS DPYD, DNPEP, DUT ROCK2 4782/4885DUT 3/4885DDB1 33/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.